KiSSim

'KiSSim' is a software tool designed to aid in the identification of structural similarities among protein kinases, which are important drug targets implicated in various diseases like cancer. Protein kinases have highly conserved binding sites, making it challenging to develop selective inhibitors. KiSSim addresses this challenge by providing a kinase-focused fingerprint, known as the KiSSim fingerprint (Kinase Structural Similarity), which is based on the KLIFS pocket definition.

Key features of KiSSim:
1. Fingerprint for Kinase Comparison: KiSSim generates a fingerprint that allows for a detailed, residue-by-residue structural comparison of protein kinases. It encodes physicochemical and spatial properties, including key subpockets like the hinge region, the DFG motif, and the front pocket.
2. Complementary to Sequence Information: While sequence information is important, KiSSim leverages structural data to detect subtle similarities that may not be apparent through sequence analysis alone.
3. Identifying Off-Targets: KiSSim enables the identification of off-target kinases, which can be crucial for understanding potential side effects and off-target effects of kinase inhibitors.
4. Visualization: The fingerprint values can be visualized in 3D, allowing users to color structures with residue and feature resolution for a deeper understanding of structural similarities.